5-azanyl-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile CAS Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-4-pyrimidinyl]-3-ethyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-3-ethylpyrazole-4-carbonitrile Traditional Name: 5-amino-1-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-3-ethyl-pyrazole-4-carbonitrile Formula: C18H18N6O MolecularWeight: 334.37512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C#N)N)C2=CC(=NC=N2)OC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=NN(C(=C1C#N)N)C2=CC(=NC=N2)OC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C18H18N6O/c1-4-15-14(9-19)18(20)24(23-15)16-8-17(22-10-21-16)25-13-6-11(2)5-12(3)7-13/h5-8,10H,4,20H2,1-3H3